tris(nitric acid);hexahydrate

H15N3O15 — CID 161328835

IUPACtris(nitric acid);hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/3HNO3.6H2O/c3*2-1(3)4;;;;;;/h3*(H,2,3,4);6*1H2
InChIKeyNGPDJGWHBVNYOW-UHFFFAOYSA-N
MW297.13 g/mol
LogP-5.99
Rot. Bonds

About tris(nitric acid);hexahydrate

tris(nitric acid);hexahydrate (PubChem CID 161328835) has the molecular formula H15N3O15 and a molecular weight of 297.13 g/mol. Its IUPAC name is tris(nitric acid);hexahydrate.

Molecular Properties

Compound Nametris(nitric acid);hexahydrate
PubChem CID161328835
Molecular FormulaH15N3O15
Molecular Weight297.13 g/mol
Exact Mass297.05
IUPAC Nametris(nitric acid);hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/3HNO3.6H2O/c3*2-1(3)4;;;;;;/h3*(H,2,3,4);6*1H2
InChIKeyNGPDJGWHBVNYOW-UHFFFAOYSA-N
XLogP-5.99
TPSA379.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 5-5.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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bis(nitric acid);palladium(2+);hydrate
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bis(nitric acid);hydrate;hydrofluoride
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CID 161165031
nickel;nitric acid;heptahydrate
CID 173389970
nickel;nitric acid;nonahydrate
CID 173200755
gadolinium;tris(nitric acid);pentahydrate
CID 131880314
nitric acid;vanadium;dihydrate
CID 174936942
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CID 170924127

Frequently Asked Questions

What is the IUPAC name of tris(nitric acid);hexahydrate?
The IUPAC name of tris(nitric acid);hexahydrate (CID 161328835) is tris(nitric acid);hexahydrate.
What is the SMILES notation for tris(nitric acid);hexahydrate?
The canonical SMILES for tris(nitric acid);hexahydrate is O.O.O.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of tris(nitric acid);hexahydrate?
The InChIKey is NGPDJGWHBVNYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/3HNO3.6H2O/c3*2-1(3)4;;;;;;/h3*(H,2,3,4);6*1H2.
What are the key properties of tris(nitric acid);hexahydrate?
tris(nitric acid);hexahydrate has a molecular weight of 297.13 g/mol, XLogP of -5.99, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(nitric acid);hexahydrate is sourced from PubChem (CID 161328835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).